Materials Data on ReBi3O8 by Materials Project

doi:10.17188/1711946

Title: Materials Data on ReBi3O8 by Materials Project

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Abstract

Bi3ReO8 crystallizes in the cubic I2_13 space group. The structure is three-dimensional. Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.75 Å) and one longer (1.77 Å) Re–O bond length. Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.17–3.08 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ and three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Re7+ and one Bi3+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi3+ atoms. In the fourth O2- site, O2- is bonded to four equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 trigonal pyramids. In the fifth O2- site, O2- is bonded to four equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1197783

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; ReBi3O8; Bi-O-Re

OSTI Identifier:: 1711946

DOI:: https://doi.org/10.17188/1711946

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                    The Materials Project. Materials Data on ReBi3O8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711946.

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                    The Materials Project. Materials Data on ReBi3O8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711946

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                    The Materials Project. 2020.  
"Materials Data on ReBi3O8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711946.  https://www.osti.gov/servlets/purl/1711946. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1711946,

  title        = {Materials Data on ReBi3O8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Bi3ReO8 crystallizes in the cubic I2_13 space group. The structure is three-dimensional. Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.75 Å) and one longer (1.77 Å) Re–O bond length. Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.17–3.08 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ and three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Re7+ and one Bi3+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi3+ atoms. In the fourth O2- site, O2- is bonded to four equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 trigonal pyramids. In the fifth O2- site, O2- is bonded to four equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra.},

  doi          = {10.17188/1711946},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1711946

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